[Pw_forum] use of pseudopotentials

Miguel Martínez miguel.martinez at ehu.es
Wed Feb 10 19:45:06 CET 2010


If you don't specify the pseudopotential in the input file, I doubt you
will get many useful numbers out of quantum espresso.

On Wed, 10 Feb 2010 18:22:08 +0000 Shaptrishi Sharma
<sh.shapt at gmail.com> wrote:
> Hi there,
> 
> I would like to know will quantum espresso calculate the projected
> density of states for all electrons when pseudopotential is not given
> in the input file?
> 
> Thanks
> 
> SS
> Pune
> India


-- 
----------------------------------------
Dr. Miguel Martinez Canales
   Department of Physics & Astronomy
   University College London
   Gower Street, London, WC1E 6BT (UK)
Fax:  +44 207 679 0595
Tlf:  +44 207 678 3476
----------------------------------------

 "If you have an apple and I have an apple and
 we exchange these apples then you and I will
 still each have one apple. But if you have an
 idea and I have an idea and we exchange these
 ideas, then each of us will have two ideas."

 George Bernard Shaw 




More information about the users mailing list