Last Modified 17 December 1999
The ``Static'' Tight-Binding Program: Example XIII
Stacking Fault Energy in Gold
Prepared for the CHSSI
beta test, 28 May 1999
Installation Notes
- The new release of static is password protected so that
we can track usage of the program for the CHSSI project.
To obtain the source code, follow the instructions given here.
- Once you have obtained the tarred and gziped source code (in a
file named static110.tar.gz)*,
run the following command (in a POSIX environment):
$ gzip -cd static110.tar.gz | tar xvf -
This will unbundle the source code while leaving
static110.tar.gz intact.
- The installation procedure requires three parameter files. These are
rather easy to set up, but we provide ready-made examples for this
project here:
- P1 is dimensioned to allow at least
twelve atoms in a unit cell. As we'll see shortly, we will use a
twelve atom periodically repeating unit cell for this calculation.
- Since we do not need to save the eigenvectors in this
calculation, P2 is dimensioned to save space
( mpress = meigen = 0 ).
- P3 is dimensioned to allow the maximum
number of k-points we need in this program.
The program is now ready to compile:
- On the SGI Origin, use the command:
$ make -f makefile.sgi
which will produce the default executable static.parpack,
using the SGI BLAS and LAPACK libaries. If these libraries are note
available, use the command
$ make -f makefile.sgi par
which uses Fortran versions of BLAS and LAPACK.
- On the IBM SP2, use the command
$ make -f makefile.aix.multi
which will produce the executable static.
(makefile.aix.single is for single processor machines
running AIX with the xlf compiler).
Note that these operations assume the existence of a working
Fortran compiler and MPI library on the compiling computer.
We are now ready to set up the problem.
Previous: Introduction
Next: Setting up the unit cell
Look at other examples.
Get other parameters from the Tight-binding periodic
table.
static Home Page
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Return to the static Reference
Manual.
*Note that the current version of static is 1.11.
For purposes of this tutorial the two versions may be considered
identical.