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: http://www.sai.msu.su/sal/Z/2/WIEN97.html
Дата изменения: Unknown Дата индексирования: Sat Dec 22 06:15:26 2007 Кодировка: |
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.
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Current Version: 97.8
License Type: Commercial, see http://www.tuwien.ac.at/theochem/wien97/request.html
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Source Code Availability: Yes
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