Original Message
Subject: Diagon vs OrderN
From:[EMAIL PROTECTED]
Date:Thu, May 12, 2005 1:35 am
To: Siesta, Self-Consistent DFT LCAO program,
http://www.uam.es/siesta; [EMAIL PROTECTED]
Dear All,
I am new SIESTA user. I am trying to relax C nanotube structure
with 532 atoms in unit cell. If the technique used is OrderN, the
particular place in the input file looks like
# Eigenvalue problem: order-N or diagonalization
SolutionMethod OrderN # OrderN or
On Tue, 10 May 2005, Prof.Dr. Kemal ÇOLAKOGLU wrote:
| Dear A.Postnikov,
| Many thanks for your suggestions on our problem.Firstly We have calculated
| the lattice constant as 6.47 A (very cose to experiment , 6.48 A)for ground
| state bulk properties.But we have set the input file more before
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