forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

ecut on PAW pseudo-potential

From: alexandre.lebon@univ-brest.fr
To: forum@abinit.org
Subject: ecut on PAW pseudo-potential
Date: Tue, 17 Jul 2007 09:22:26 +0200

Dear all,

I read recently on this forum a "rule of the thumb" to guess the ecut with
Troullier Martins psps. The PAW files does not seem to give such an
information, except the precision of the value of r_c (cf. Tutorial PAW2).
Unfortunately there is no possible guess with this parameter.
Is the trend the larger r_c the softer psp?

Alexandre

ecut on PAW pseudo-potential, alexandre . lebon, 07/17/2007