Hi, I'm really sorry but the PBE0 functional is not implemented in SIESTA. Regards, Eduardo
On 01/08/2008, at 7:54, Adrain Zhou wrote:
Dear all,
Is there anybody has experience with hybrid functional
(PBE0) calcualtion? Could you please tell me how is
the performance? Do I use only PBE atom
pseudopotential file?
Regards,
Adrian
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