Differences
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gem [2012/03/28 13:24] – tate | gem [2020/03/06 09:12] (current) – external edit 127.0.0.1 | ||
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====== FLAIR/GEM - an Alternative to Wien 2K ====== | ====== FLAIR/GEM - an Alternative to Wien 2K ====== | ||
- | The purpose of this page is to solicit input/ | + | Guenter' |
+ | |||
+ | The purpose of this page is to solicit input/ | ||
==== Strengths of Wien 2K ==== | ==== Strengths of Wien 2K ==== | ||
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* Be able to plot electron density (need a sub list here to see how automated this should be) | * Be able to plot electron density (need a sub list here to see how automated this should be) | ||
* Be able to plot Fermi surface (need a sub list here to see how automated this should be) | * Be able to plot Fermi surface (need a sub list here to see how automated this should be) | ||
+ | * find total energy minimum, and hence optimize lattice constants | ||