The ABINIT Users Mailing List ( CLOSED )

[Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>]

> Dear ABINIT
> users,

I am searching in pseudopotential home page files ( under

http://www.abinit.org/Psps/?text=psps)  for pseudopotential
_expression_. For example for Ti (3s23p64s03d2 ) but when I open for any
element in TM psp (

http://www.abinit.org/Psps/?text=../Psps/LDA_TM/lda) , for example O
:

Troullier-Martins psp for
element  B         Thu Oct
27 17:29:24 EDT 1994
   5.00000   3.00000   
940714               
zatom, zion, pspdat
    1    1   
1    1     
2001    .00000     
pspcod,pspxc,lmax,lloc,mmax,r2well
    0   8.313  21.401   
1   1.5924135       
l,e99.0,e99.9,nproj,rcpsp
    .00000000   
.0000000000    .0000000000   
.00000000   rms,ekb1,ekb2,epsatm
    1  11.531  17.234   
0   1.5924135       
l,e99.0,e99.9,nproj,rcpsp
    .00000000   
.0000000000    .0000000000   
.00000000   rms,ekb1,ekb2,epsatm
    1.10004537463277    
.35216853368804     .40909985967175  
rchrg,fchrg,qchrg
    0 =l for Troullier-Martins pseudopotential


My question, where I can find the _expression_ of any psp ?

Cordialement,
Sincerely yours,

====================================
Dr. Souraya Goumri-Said
Centre de recherche en Physique de la Matière et du Rayonnement (PMR)
Laboratoire de Physique du Solide
Facultés Universitaires Notre-Dame de la Paix
Rue de Bruxelles 61 - B - 5000 Namur
Tel : +32(0)81 72 47 01
Fax : +32(0)81 72 47 10
email : Souraya.Goumri-Said@fundp.ac.be