[Pw_forum] Hubbarb coefficients

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Wed May 14 18:55:59 CEST 2014


Dear Tommaso
Matteo Cococcioni's lessons and "hands on" at the 2009 QE school could be what you're looking for.
HTH
Giuseppe

http://media.quantum-espresso.org/santa_barbara_2009_07/

On Wednesday 14 May 2014 18:37:26 Tommaso Francese wrote:
> Dear all QE users,
> even if the question it might be a little bit trivial, can anybody
> describe, step by step, how to extrapolate the Hubbard coefficients, for
> example a cubic structure of ZrO2, with richness of details and defining
> every parameter set? I haven't find a good description in the forum, nope
> in internet, so this is the reason i ask you to help me. Thanks in
> advance,
> Tommaso Francese
> Università Cà Foscari di Venezia
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum


********************************************************
- Article premier - Les hommes naissent et demeurent
libres et ègaux en droits. Les distinctions sociales
ne peuvent être fondèes que sur l'utilitè commune
- Article 2 - Le but de toute association politique
est la conservation des droits naturels et 
imprescriptibles de l'homme. Ces droits sont la libertè,
la propriètè, la sùretè et la rèsistance à l'oppression.
********************************************************

   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
   v. Salaria Km 29,300 - C.P. 10                
   I 00015 - Monterotondo Stazione (RM)          
   Tel + 39 06 90672836 - Fax +39 06 90672316    
   E-mail: <giuseppe.mattioli at ism.cnr.it>
   ResearcherID: F-6308-2012




More information about the users mailing list