forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: "Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] first initial values
- Date: Mon, 8 Mar 2010 18:30:37 +0100
- Importance: Normal
> Dear Abiniters,
> I want to compute the band structure with GW approximation , and some of
> input
> variables determined in the Previous convergence sections (LDA band
> structure ) are : ecut 16 , nband1=80 ,ngkpt=6 6 6 .
>
> and the question is : What are the first initial values for ; nband2 ,
> nband3 ,
> ecutwfn2,3 , ecuteps2 , ppmfrq2 , ecutsigx.
> My Dear Abiniters please help me.
>
> thank you
> Asadi.
>
Dear Asadi,
What about the good old-style converge study described in the
GW tutorial?
http://www.abinit.org/documentation/helpfiles/for-v6.0/tutorial/lesson_gw1.html
- [abinit-forum] first initial values, asadidomakani, 03/06/2010
- <Possible follow-up(s)>
- [abinit-forum] first initial values, asadidomakani, 03/08/2010
- Re: [abinit-forum] first initial values, Matteo Giantomassi, 03/08/2010
Archive powered by MHonArc 2.6.16.