d multiple-zeta basis: split
>
> SPLIT: Orbitals with angular momentum L= 0
>
> SPLIT: Basis orbitals for state 4s
>
>izeta = 1
> lambda =1.00
> rc =6.000769
> energy = -0.359899
> kinetic =0.3
parameter: 0.52689. Will not be able to generate
orbital with split_norm = 0.15000
See manual for new split options
ERROR STOP from Node: 0
--- On Tue, 3/1/11, Marcos Veríssimo Alves
wrote:
From: Marcos Veríssimo Alves
Subject: Re: [SIESTA-L] Parallel_version
To: siesta-l@uam.es
Date: Tuesda
files.
> Do I have to make any special changes in FDF file when I want to run
> parallel calculations.
> Any help from any one is welcome.
>
>
>
> --- On *Sat, 2/26/11, Huan Tran * wrote:
>
>
> From: Huan Tran
> Subject: Re: [SIESTA-L] Parallel_version
> To: sies
For those who need to install parallel siesta, here is something I found on
the web. For me, it works.
Installation of SIESTA-3.0-b(parallel version):
1. Installation of MPICH2:
a) to get mpich2
http://www-unix.mcs.anl.gov/mpi/mpich/
b) installation instruction:
http://hydra.na
Dear All
Can any one guide me and send me some related steps for installation of
parallel version of SIESTA-3.0-rc2.
I will be grateful if some has successfully installed the parallel version of
SIESTA-3.0-rc2 and can send me arch.make file.
Also tell me the FORTRAN compiler name which can suppor
