The ABINIT Users Mailing List ( CLOSED )

[Steven Homolya <Steven.Homolya@spme.monash.edu.au>]

Dear Abinit users,

With getcell = -1 in multidataset mode I often get abinit exiting
with the folloing (or similar)  message:

kpgsph : BUG -
npw=      1823 > mpw=      1817.

It would seem that the number of plane waves is not recalculated when
acell is changed due to getcell = -1. The problem seems to affect all
recent versions of Abinit: 4.0.4, 4.1.4, 4.2.3.

Is anyone aware of this? Should I submit a bug report or should I post
more details here?

many thanks,

Steve

--
Steven Homolya
School of Physics and Materials Engineering
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3694
Fax: +61 3 9905 3637