[Pw_forum] mathematical method for computing in quantm espresso

[Eduardo Ariel Menendez Proupin]

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 Química Fisica Aplicada
Facultad de Ciencias
Universidad Autónoma 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.
>
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