- 31 Jul, 2018 2 commits
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Matthias Redies authored
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Matthias Redies authored
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- 26 Jul, 2018 3 commits
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Gregor Michalicek authored
...also: Fixed an uninitialized variable in init/old_inp/fleur_init_old.F90
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S.Rost authored
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S.Rost authored
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- 25 Jul, 2018 1 commit
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Gregor Michalicek authored
Note: ksym seems to be not in use at all. Also not in older fleur versions.
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- 24 Jul, 2018 4 commits
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Gregor Michalicek authored
This is (1) the number of special k points and (2) their indices.
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Gregor Michalicek authored
...the indices of the special k points are still missing.
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 22 Jul, 2018 1 commit
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Gregor Michalicek authored
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- 20 Jul, 2018 5 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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Gregor Michalicek authored
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- 19 Jul, 2018 2 commits
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Matthias Redies authored
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Matthias Redies authored
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- 18 Jul, 2018 8 commits
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Gregor Michalicek authored
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Matthias Redies authored
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Matthias Redies authored
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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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Gregor Michalicek authored
don't store the output density anymore. I now read it from the last input density. ...this may be slightly inconsistent but in the case of self convergence it should be irrelevant.
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Gregor Michalicek authored
...otherwise the variable ispin is not defined.
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- 17 Jul, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
This is going to be extended with functionality for the output of augmented band structure data. ...It actually only is a test commit for my current development environment. :)
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- 13 Jul, 2018 1 commit
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S.Rost authored
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- 12 Jul, 2018 4 commits
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S.Rost authored
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S.Rost authored
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S.Rost authored
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Daniel Wortmann authored
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- 11 Jul, 2018 4 commits
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Daniel Wortmann authored
Merge libxc branch as GGA seems to be approximately working... See merge request fleur/fleur!9
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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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- 10 Jul, 2018 3 commits
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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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