Dear siesta users
i would like to install siesta
in sunfire(solaris)v40z
we have installed fortran compiler
g95; it work well ; but when i try to
configure siesta using ./configure
we get this message
checking for Fortran compiler default output file name... configure: error:
Fortran compiler
Hello all,
I have a question about the changes of the total energy of a system under
strain.
I have relaxed the system I have first under "Variablecell False" by
"MaxForceTol 0.04eV/Ang" and then I turned on the "Variablecell true" and
decreased the "MaxForceTol " to 0.01 eV/Ang to have the la
Hi Julie,
The same happened to us for a metallic system. The cure seems the
use of a quite dense k-point grid (like 3K - 4K for the single
atom primitive cell) and to keep the M&K grid fixed across the different
deformations.
Comments from the list appreciated.
Regards,
Roberto
On F
Dear Lamjed
I succesfully built siesta in solaris 10 using sun compilers, you can
get them at http://developers.sun.com/sunstudio/downloads/index.jsp.
Regards
On Fri, Feb 20, 2009 at 1:22 PM, Lamjed debbichi
wrote:
> Dear siesta users
>
> i would like to install siesta
> in sunfire(solaris)v40
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