[Pw_forum] core radius of pseudopotential for which matches real wave function

[Eyvaz Isaev]

Dear Mike,

I suppose, you should read an exciting  paper "Pseudopotentials that work: From 
H to Pu" in Phys. Rev. B                       26,                       
4199–4228                       (1982)  by G. B. Bachelet*, D. R. Hamann, and M. 
Schlüter
 
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: mike at. <mikeat4999 at gmail.com>
To: Pw_forum at pwscf.org
Sent: Tue, March 22, 2011 7:11:02 PM
Subject: [Pw_forum] core radius of pseudopotential for which matches real wave 
function

hi,

how can i tell the core radius ( cuttoff radius) ,  r_c , at which a pseudo 
potential is valid? ir for something like  B.pz-vbc.UPF, how can i find out from 
which values the pseudo matches the *real* wavefunction? 


Regards
M. O. ATAMBO.
Undergrad , Moi University 
Chepkoilel University college
Kenya.


      
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