- 09 Dec, 2018 1 commit
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Gregor Michalicek authored
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- 07 Dec, 2018 6 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 06 Dec, 2018 11 commits
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Daniel Wortmann authored
Added fully-fully noco code to potential generator and charge density part. Proper handling of spin dimension for density and potential still missing
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Daniel Wortmann authored
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Daniel Wortmann authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 04 Dec, 2018 4 commits
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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- 03 Dec, 2018 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 30 Nov, 2018 10 commits
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Gregor Michalicek authored
NOTE: The usage of the alternative k point sets is not yet as planned. Actually It was planned that multiple k point sets could be used in a single fleur run. At the moment the input selects a single k point set from those provided.
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Gregor Michalicek authored
...this might not yet work in all computation modes.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
...dirty implementation to get the GW interface running
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Stefan Rost authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Bugfixes for Vacuum part in spin-spiral calculation. Still not 100% correct as conribution of last k+g that are only present for one spin are missing. Might not be relevant at all since these are expected to be tiny.
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Matthias Redies authored
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- 29 Nov, 2018 3 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
Modified sorting routine to use secondary key and used this in several places to simplify sorting of LAPW, stars...
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Daniel Wortmann authored
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- 28 Nov, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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