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Re: [abinit-forum] Problem using ABINIP


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  • From: Latévi Max LAWSON DAKU <max.lawson@unige.ch>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Problem using ABINIP
  • Date: Sun, 15 Jan 2006 19:22:18 +0100

Dear Pierre-Matthieu,

Many thanks for your answer.

I am new to ABINIT.

I am doing a phonon calculations at Gamma point,
using an input file which has been adapted from
~ABINIT/Tutorial/trf1_5.in. Therefore there are three
datasets for the different calculations. Here are the
number of k-points used for each dataset.

1) Ground state: nkpt = 60
2) d/dk : nkpt = 256
3) phonons : nkpt = 256

Six nodes are being used.

All the best,
Max




Anglade Pierre-Matthieu wrote:

>Is the number of effective k-point proportionnal to or greater than
>your number of nodes?
>
>
>
>

--
***********************************************
Latevi Max LAWSON DAKU
Departement de chimie physique
Universite de Geneve - Sciences II
30, quai Ernest-Ansermet
CH-1211 Geneve 4
Switzerland

Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
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