forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: Philip Murphy <philip.murphy@tyndall.ie>
- To: forum@abinit.org
- Subject: [abinit-forum] Bug in cut3d
- Date: Wed, 14 Oct 2009 16:51:30 +0200 (CEST)
Dear abinit developers,
While trying to process a wavefunction file with the latest version of
abinit's
cut3d, I get the following message:
rwwf : BUG -
Reading option of rwwf. One should have npw=npw1
However, npw= 3097, and npw1=99133.
Action : contact ABINIT group.
There is nothing out of the ordinary in the way I generated the WF file: a
self
consistent calculation of a supercell with only kpt 0.0 0.0 0.0. I have tried
with and without time reversal symmetry, to no avail.
It seems an odd error, since I am not performing an RF calculation at all, and
npw1 shouldn't be of any consequence.
Please help.
Kind regards,
Philip Murphy
- [abinit-forum] Bug in cut3d, Philip Murphy, 10/14/2009
- Re: [abinit-forum] Bug in cut3d, David Waroquiers, 10/14/2009
- Re: [abinit-forum] Bug in cut3d, BOTTIN Francois, 10/14/2009
- Re: [abinit-forum] Bug in cut3d, David Waroquiers, 10/14/2009
Archive powered by MHonArc 2.6.16.