forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] Tutorial 1.5: diemac = 1; why?

From: Rob <spamrefuse@yahoo.com>
To: abinit <forum@abinit.org>
Subject: [abinit-forum] Tutorial 1.5: diemac = 1; why?
Date: Sat, 13 Jun 2009 16:09:35 -0700 (PDT)
Domainkey-signature: a=rsa-sha1; q=dns; c=nofws; s=s1024; d=yahoo.com; h=Message-ID:X-YMail-OSG:Received:X-Mailer:Date:From:Subject:To:MIME-Version:Content-Type; b=NX9NxR1h4Eis1D//v+EdeSCRsWI+rhihk6n3lPZHC/pEj4cie8vGHcZ0uHZLgA0IC/qjG4YkhiuhsmHwgQXcQSBaXIuR3NK2+XHMTndiM5tlu3pflP6excclACXD7C0+f+QO6/MlAr0WTe7bOLvv+wXtfYYSlfxsBU/TUWSNn4I=;

Hi,

I'm using 5.7.4 with the corresponding Tutorials.

The variable diemac is rather confusing to me and
hence I 'blindly' follow the guidelines of the user guide.

In Tutorial 1 and 2, on the H2 molecule, all the given input
files have diemac = 2, as is recommended by the guidelines.
However, only in lesson 1.5 suddenly the diemac is 1.
Is this a typo in the t15.in input file, or is this intentionally?

If it's intentionally, it needs an explanation as to why diemac
must change in this case.

Thank you!

Rob.

[abinit-forum] Tutorial 1.5: diemac = 1; why?, Rob, 06/14/2009
- Re: [abinit-forum] Tutorial 1.5: diemac = 1; why?, Anglade Pierre-Matthieu, 06/14/2009
  - Re: [abinit-forum] Tutorial 1.5: diemac = 1; why?, matthieu verstraete, 06/14/2009