Dear Swaroop,
there is a good pseudo+basis by Junquera on the Siesta web site.
Just follow the "pseudos & bases" link...
It is an LDA pseudo, but you can use the same parameters (cut off
radii) to generate a GGA one and then test if it works fine.
Regards,
Zeila
On 24 Nov 2007, at 08:20, M.Sairam Swaroop wrote:
Dear Siesta Users
I would be glad if someone could share a GGA flavor pseudopotential
for Ti
with me.
warm regards
swaroop
--
M.Sairam Swaroop
Theoretical Sciences Unit
JNCASR,Jakkur
Bangalore-64
INDIA
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Dr. Zeila Zanolli
Université Catholique de Louvain (UCL)
Unité Physico-Chimie et de Physique des Matériaux (PCPM)
Place Croix du Sud, 1 (Boltzmann)
B-1348 Louvain-la-Neuve, Belgium
Phone: +32 (0)10 47 2617
Mobile: +32 (0)487 556699
Fax: +32 (0)10 47 3452
e-mail: [EMAIL PROTECTED]
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