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Introduction

The Linearized Augmented Plane Wave (LAPW) method has proven to be one of the most accurate methods for the computation of the electronic structure of solids within density functional theory. A full-potential LAPW-code for crystalline solids has been developed over a period of more than fifteen years. A first copyrighted version was called WIEN and it was published by

P. Blaha, K. Schwarz, P. Sorantin, and S. B. Trickey, in
Comput. Phys. Commun. 59, 399 (1990).

Later significantly improved and updated UNIX versions of the original WIEN-code were developed, which were called WIEN93 and WIEN95. This new version, WIEN97, is further improved, especially in terms of speed, universality, user-friendliness and new features.

WIEN97 is written in FORTRAN 77 (but requires COMPLEX*16) and requires a UNIX operating system since the programs are linked together via C-shell scripts. It has been implemented successfully on the following computer systems: Pentium (PRO) systems running under Linux, IBM RS6000, HP 730, SGI Power Challenge, DEC Alpha (under OSF1 and Linux), SUN, SNI Fujitsu S100 and NEC SX4. But it was also reported to run on CONVEX and Cray systems.

Hardware requirements will change from case to case (small cases with 10 atoms per unit cell can be run on a Pentium PC with 64 Mb under Linux), but generally we recommend a powerful workstation with at least 128 Mb (better 256 Mb or more) memory and 500 Mb (better 1-4 Gb) of disk space.

In order to use all options and features (such as the new graphical user interface WIEN in a BOX or some of its plotting tools) the following public domain program packages in addition to a F77 compiler must be installed:

Usually these packages should be available on modern systems. If one of these packages is not available it can either be installed from public domain sources (see Chapt. 11) or the corresponding configuration may be changed (e.g. using vi instead of emacs). None of the principal components of WIEN97 requires these packages, only WIEN in a BOX needs them.

WIEN97 has the following features that are new with respect to WIEN93 and WIEN95:

The development of WIEN97 was made possible by support from many sources. We try to give credit to all who have contributed. We hope not to have forgotten anyone who made an important contribution for the development or the improvement of the WIEN97 code. If we did, please let us know (we apologize and will correct it). The main developers in addition to the authors are the following groups:

We want to thank those WIEN users, who reported bugs or made suggestions and thus contributed to the new version. We want to mention:

In previous versions the following persons have made major contributions in the development of the code:

This work was supported by the following institutions:




We take this opportunity to thank for all contributions.
For suggestions or bug reports please contact the authors by email:




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\parbox[c]{7cm}{
\begin{center}
\file{pblaha@email.tuwien.ac.at}\\...
...{kschwarz@email.tuwien.ac.at}\\
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next up previous contents
Next: Introduction to the package Up: List of Figures Previous: List of Figures

2000-04-11