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Re: [abinit-forum] first initial values


Chronological Thread 
  • 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




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