Hello!
I have problem with ghost states. We calculate Au2 and during process
of calculation we got this:
GHOST: WARNING: Ghost state for L = 0
GHOST: WARNING: Ghost state for L = 1
GHOST: No ghost state for L = 2
GHOST: No ghost state for L = 3
KBgen: WARNING: Ghost states have been detected
KBgen: WARNING: Some parameter should be changed in the
KBgen: WARNING: pseudopotential generation procedure.
Can anyone help us?
----- Original Message Follows -----
From: "John B. Baba" <[EMAIL PROTECTED]>
To: [email protected]
Subject: [SIESTA-L] Problem of generating the pseudopotential of Cr
Date: Wed, 5 Jan 2005 09:01:32 +0800
Hi.all.
I meet diffcults when I generating the pseudopotential of Cr.I
generate lots of PP through change the rc. I test the PP in solid
state of Cr,but can't find the min energy even I change the lattice
constant about
(-12,12)%.If you have generated the PP of Cr.Sent me a message
,thank you very much.
sincerely
