Dear martin
In the assined number
Ef 0.200 500 -20.00 10.00
the value of eta is missing. What is this and the assined value of eta will
be
yours truely
Dr Mohan L Verma
--- On Tue, 18/5/10, Jackie Wan wrote:
From: Jackie Wan
Subject: Re: [SIESTA-L] about the eig2dos code
T
Try also to compile with -O2 or even -O1 compiler options (particularly,
if using Intel Fortran 10 or 11).
First things first, can you look at the output file from the parallel run and
see if your
density is converging (dDmax --> 0.0001). If not, then this is the reason the
job runs
forever. If this is the problem, then my first guess is the compilation of
BLACS and/or
SCALAPACK. Try downloading
Dear siesta users and developers：
I found siesta-3.0-b of parrellel and serial compiled will lead to different
results, and it seems the results of parrellel-compiled one was wrong.
In Tests/benzene,
with same fdf,psf--all at the same condiction, the energy E_KS(eV) by
parrellel-complied one is
Dear Martin,
Thank you very much.
Cheers,
Wan
From: Martin Zoloff
To: siesta-l@uam.es
Sent: Tue, May 18, 2010 7:48:49 PM
Subject: Re: [SIESTA-L] about the eig2dos code
Dear Wan,
There is a brief explanation in the commented text at the beggining of the
eig2
Dear Wan,
There is a brief explanation in the commented text at the beggining of the
eig2dos code. You have to modify by hand the EIG file you obtained from the
siesta calculation in order to add the missing values,ie the broadening
constant, the number of points and the energy window. The first l
Dear All,
When tackle the result, one of the file Systemlable.EIG file, in order to plot
the dos of bulk system. I use the code in the Util dir. I am confused about the
eig2dos code.
Thank you for your time to have a look.
in the Siesta's Src/ioeig.f file:
(in line 54-62 as below:)
c
