dear users:
can i edit the makefile of the atom program as follows:
#
# Makefile for ATM
# ---
#
.SUFFIXES: .f .o .a .prj .smb .log
#
#--$
# EDIT the following lines to suit your system
Dear users:
I have compiled siesta-2.0.2 and worked properly.Now I want to generate
pesudopotental using atom program,but the executable file amt hasn't be
generated with the siesta compiled.Is it need to be compiled separately? IF
so,how can i edit the makefile using the PGI as the compil
Dear siesta users;
I have problem with geometry optimization
(MD.TypeOfRun cg) in siesta-trunk-331 version (most recent one).
My calculation suddenly stops at second step of optimization:
The end of the file is following:
*New_DM. Step: 2
Re-using DM from previous geometry...
Re-using DM with
Thank you Marcos for pointing this out,
We are going to check it out in all versions
and let you know ...
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
tel: +34 914973805
---
fromMarcos Veríssimo Alves
reply-tosiesta-l@uam.es
to siesta-l@uam.es
date
Hi,I am new siesta user to.
If you aren't not being ablex the relax the coordinates, you may need to
decrease MD.NumCGsteps an SCF accurancy.
> Hi siesta users,
> I am a new siesta user trying to reproduce the band structure of a
> graphene sheet. but I am not being able to relax the coordinates..
Dear Leila,
I'm afraid you cannot get Voronoi tesselation within SIESTA framework.
You have to write some stand-alone program to handle it.
Regards,
Andrey.
> Dear all,
>
> I am trying to get the local atomic volume for each in my supercell.
> Can anybody tell me how to realize to plot the Vo
Dear all,
I am trying to get the local atomic volume for each in my supercell. Can
anybody tell me how to realize to plot the Voronoi polyhedrons?
Thanks in advance!
Best wishes!
Leila
