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- Wed Oct 23, 2013 5:10 pm
- Forum: Improving ABINIT
- Topic: Mixing/Optimization collaboration
- Replies: 0
- Views: 3441
Mixing/Optimization collaboration
For some years I have been working on better optimizers and mixers, mainly for Wien2k. I have a new algorithm (actually one proposed by Bendt and Zunger in 1983) which is mature enough in Wien2k that it is now the recommended optimizer -- it simultaneously "mixes" the density and atomic po...