[Pw_forum] PAW pseudopotential with gipaw reconstruction

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Fri May 4 14:11:29 CEST 2012


Ciao Emine
It is working fine, both with pw.x and xspectra.x
Thank you very much
Giuseppe

On Thursday 03 May 2012 22:59:39 Kucukbenli Emine wrote:
> Hello Giuseppe,
> To make a paw pseudo with gipaw
> add the following to the &inputp card:
> 
> lgipaw_reconstruction=.true.
> use_paw_as_gipaw=.true.
> 
> and that should be all,
> please let me know if it is not working for you.
> 
> ciao
> emine kucukbenli, postdoc, epfl, switzerland

-- 
********************************************************
- 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>



More information about the users mailing list