The ABINIT Users Mailing List ( CLOSED )

["Horacio Wagner Leite Alves" <hwlalves@ufsj.edu.br>]

Concerning the absence of In Troullier-Martins pseudopotential, you must
consider the warning message that appears when you start the download
process - uses at your own risk! However, instead of looking in the web for
In ps.pot., it is easier to construct them by yourself - use the fhi98PP for
that. I have published some hints about In pspot in Microelect. J. 34(2003)
655, when we have followed the Stampfl recipe for the III-Nitrides. And it
works well! Try it!

greetings,

Horacio W. LEITE
ALVES
Departamento de Ciências Naturais
Universidade Federal de São
João del Rei
Caixa Postal: 110 CEP: 36.300-000
São João del Rei -
MG
Fone: (55)(32)33.79.24.89
Fax: (55)(32)33.79.24.83

--------- Mensagem Original --------
De: forum@abinit.org
Para: "forum@abinit.org" <forum@abinit.org>
Assunto: [abinit-forum] Why the Troullier-Martins pseudopotential file of In is unavilable?
Data: 01/06/04 04:48


Dear All:
Why the Troullier-Martins pseudopotential file of In is unavilable? the reason for no PP of K had been stated.
It is proper to calculated by using both of Hartwigsen-Goedecker-Hutter Indium PP and a Troullier-Martins Al PP at ONE cell?

thank you

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