Dear Reza,
It's a typo error, you can safely add the 7 electrons, the pseudo was
calculated with them.
Regards,
Eduardo
On 25/03/2008, at 18:45, reza behnam wrote:
Dear Eduardo,
Thank you for for your reply. In fact I made a mistake in
downloading Co and i could download it, but the number of 3d
electrons in the Psf file was zero (3d 00.00). Is this a problem?
Can I simply add 7 electrons to 3d orbital of the downloaded psf
file?
Thanks,
Reza
----- Original Message ----
From: Eduardo Anglada <[EMAIL PROTECTED]>
To: SIESTA-L@listserv.uam.es
Sent: Tuesday, March 25, 2008 5:15:33 AM
Subject: Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
Dear Reza,
Which one did you download?
Best,
Eduardo
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