David,
Yes it is possible, but depends on the generation of macs you have. We
compiled and run it successfully on G5 machine having the IBM
processors and compiler. If you install the compiler on G4 machines it
works fine too.
attached the makefile.
Then to run you just have to execute in t
Dear all,
Is it possible to run SIESTA on a Mac OS X system? If so, what are
the steps to follow?
Thanks and best regards!
David
Dr. David Martín y Marero
Responsable Nanosonda Nuclear
Centro de Microanálisis de Materiales
Universidad Autónoma de Madrid
c/ Faraday, 3 (Edificio 22, Camp
Dear All,
I am using SIESTA to do calculation on HgTe@(10,10). As HgTe has a Pressure
dependent,I cannot use rock salt strucure as you have done calculation for
KI.Because we use the target pressure 0.02 GPa.So I would like ZincBlende
structure.But this structure is not a simple one like KI a
Hi,
We have a machine similar to the one you use, I got this problem for
larger systems too. It seems that the initial guess of required memory
made by siesta is not sufficient for digitalization. Your environment
variables are set correctly but this wouldn't help in this case.
With siesta
Dear All,
In the Pseudo potential scheme,I have a confusion.For Si Pseudo Potential ,The
Pseudopotential core radii for all channels are 1.90 Bohrs(for all s,p
,d,f).Why we have to take d,f for defining pseudo core as d and f are specified
as valence orbitals.and also
in the pseudo potential
Dear Sir,
Following your instrctions and what I understand from the manual,
for variable cell relaxation, I use
MD.VariableCell.true.
and MD.MaxStressTol0.5 GPa
Then in the hexagonal geometry both in-plane lattice constant(a)
and perpendicular to the plane
Andrei Postnikov wrote:
On Sun, 26 Jun 2005, xianghjun wrote:
| Dear Andrei Postnikov,
| I have tried rho2xsf, and it works well.
| Now I want to plot the Fermi surface using Xcrysden.
| I learn that you have a program named ene2bxsf to do this job.
| Would you please send a copy of ene2bxsf t
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