The ABINIT Users Mailing List ( CLOSED )

[Paul Fons <paul-fons@aist.go.jp>]

  I have only played around with the Vanderbilt potentials a little,  
but as I recall you can download potentials from his website and  
there is code included with abinit to convert them to the projected  
augmented wave format that abinit uses.  There is a tutorial as I  
recall in the Infos/Tutorial/lesson_paw2.html file that describes how  
to do this.  Cu and Au potentials are included:

[dhcp055205:~/uspp-735-181/Work]% ls
./             008-O/         022-Ti/        033-As/        056-Ba/
../            014-Si/        026-Fe/        034-Se/        079-Au/
000-Ex/        015-P/         029-Cu/        038-Sr/        DISCLAIMER
001-H/         016-S/         030-Zn/        040-Zr/        LAST- 
MODIFIED
007-N/         019-K/         031-Ga/        041-Nb/        README
[dhcp055205:~/uspp-735-181/Work]% ls *Cu *Au
029-Cu:
./                   029-Cu-ca--ts/       029-Cu-gpbe-n-bm/
../                  029-Cu-ca-n-bm/      029-Cu-gpw-n-campos/

079-Au:
./                   079-Au-ca--ts/
../                  079-Au-gpw-n-campos/



On Jan 31, 2006, at 04:46 AM, alex_bautistah@yahoo.com wrote:

> Hello,
> Some of you has Vanderbilt pseudopotentialsfor copper and gold
> (LDA or GGA) for abinit?
>
> Thanks
>
>
> ==========================================================
>
> Alejandro Bautista Hernandez
> Instituto de Fisica, Universidad Autonoma de Puebla
> Apdo. Postal J-48, CP 72570, Puebla, Pue., Mexico
> Tel. 01 22 22 29 55 00, Ext. 2044, Fax: 01 22 22 29 56 11
> URL: http://es.geocities.com/calculosab/mi_pagina.html
>
> ==========================================================