WIEN97 This program package allows you to perform electronic structure calculations of solids using the full-potential linearized-augmented-plane-wave (LAPW) method, one among the most accurate schemes for band structure calculations. It is based on density functional theory and uses the local (spin) density approximation (LDA) or the improved version of the generalized gradient approximation (GGA). It is an all-electron scheme including relativistic effects.

Current Version:   97.8 License Type:   Commercial, see http://www.tuwien.ac.at/theochem/wien97/request.html

Home Site: http://www.tuwien.ac.at/theochem/wien97 Source Code Availability:   Yes Available Binary Packages: Debian Package:   No RedHat RPM Package:   No Other Packages:   Yes Targeted Platforms: The program is written in FORTRAN77 and runs under Unix on workstations (IBM RS 6000, HP, SGI, DEC-alpha, Linux etc.) or on supercomputers (Cray, Fujitsu, NEC, etc.) Software/Hardware Requirements: It requires 64 Mb memory for small systems (to about 10 atoms per unit cell) or more for larger systems. 500 Mb (or more) of disk space is required.

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