[Pw_forum] B3LYP

[Vi Vo]

Dear Giuseppe,

Thank you very much!

Vi




________________________________
From: Giuseppe Mattioli <giuseppe.mattioli at mlib.ism.cnr.it>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Sat, June 19, 2010 4:52:21 AM
Subject: Re: [Pw_forum] B3LYP

Dear Vi Vo

> Is B3LYP implemented in QE 4.2?

It is, but first have a look at this file

/yourespresso-4.2/examples/EXX_example/README

having in mind that hybrid functionals are not still straightforwardly 
implemented in QE...

Yours 
Giuseppe

On Saturday 19 June 2010 01:35:39 Vi Vo wrote:
> Dear PWSCF Users,
>
> Is B3LYP implemented in QE 4.2?
>
> Thank you,
>
> Vi Vo
> Chemical Engineering Department
> University of Houston



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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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