[Pw_forum] TDDFT and GW

[Michael Sullivan]

I was looking into this a bit this week…

If I understand it correctly, both YAMBO and SaX can perform GW calculations. Is there any reason to use one over the other and in what situations?

By the way, information about SaX can be found here: http://www.sax-project.org/

Mike Sullivan
Institute of High Performance Computing, Singapore
http://www.sullivan.sg/

From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of xirainbow
Sent: Friday, August 07, 2009 12:56 PM
To: Jiayu Dai; PWSCF Forum
Subject: Re: [Pw_forum] TDDFT and GW

Dear Jiayu Dai：
It's so exciting to see the new release of espresso-4.1, and a lot of new parts in
the code. But i would like to know if it includes the parts of TDDFT and GW? They
have been discussed a lot before, and expected to be done soon?

As I only use 4.0.5, I do not know whether QE 4.1can perform GW and TDDFT calculation.
If you want to do GW and TDDFT righti now, you can try Yambo.
Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. Yambo can take PWscf output files as its input file and do GW and TDDFT calculation. And Yambo is free. You can find it here http://www.yambo-code.org/index.php .
From you address, I know you are Chinese. You can visit  blog.sina.com.cn/nkasir to find some information about Yambo installaiton.

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____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China

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