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Re: [abinit-forum] how many decimal is required

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] how many decimal is required
Date: Wed, 25 Apr 2007 14:44:47 +0200
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It depends ont the quantities you want to calculate.
But suppose that you have a material with a bulk modulus of 100GPa.
3/1000 of error will make a pressure of 300MPa=3000 atm. which may
have some consequences on some properties.
regards

PMA

On 4/25/07, taoj0003@ntu.edu.sg <taoj0003@ntu.edu.sg> wrote:

for the acell value,how many decimal value is required? for a lattice
constant of a=4.59373, if we use a=4.59, is there much difference?

--
Pierre-Matthieu Anglade

how many decimal is required, taoj0003, 04/25/2007
- Re: [abinit-forum] how many decimal is required, Anglade Pierre-Matthieu, 04/25/2007