The ABINIT Users Mailing List ( CLOSED )

[Konstantin Rushchanskii <konstantin.rushchanskii@cea.fr>]

Dear Hua Bao,
> ecut 15.0         # Maximal kinetic energy cut-off, in Hartree
ecut 15 Ha is very low for Ti and for O.

If you use TM's pspnc pseudopotentials from abinit.org, the simplest way 
to find the minimal cutoff is to look for the maximal value of e99.9 
parameter in the header of pseudopotential files.
In your case it is 28.075 (the cut-off energy for p-orbital of oxygen).

Regards,
KR