- 22 Aug, 2019 2 commits
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Frank Freimuth authored
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Uliana Alekseeva authored
Helps when lots of k-points need to be calculated.
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- 21 Aug, 2019 7 commits
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
is stored in the WF1.spn file. The format of WF1.spn differs from the format of the mmn0 files written by fleur. Similar format differences exist for other other files. This subroutine allows us to convert the files generated by fleur into the format used by wannier90.
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Gregor Michalicek authored
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- 20 Aug, 2019 4 commits
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Frank Freimuth authored
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Frank Freimuth authored
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 19 Aug, 2019 5 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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Gregor Michalicek authored
...at the moment this is buggy. I will fix it in the next commits.
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Gregor Michalicek authored
...solved this in cooperation with Matthias.
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- 16 Aug, 2019 3 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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- 14 Aug, 2019 1 commit
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Gregor Michalicek authored
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- 13 Aug, 2019 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
The problem was that the respective procedure call was in a single if statement and-connected to an irank.EQ.0 test. The procedure call was only supposed to be performed on irank 0. ...but this filter is not yet active in the if clause but only in the enclosed block.
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Gregor Michalicek authored
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- 12 Aug, 2019 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
The initializations are irrelevant for the production version but circumvent an erroneous stop due to missing initializations in the debugging version. The commit hopefully fixes issue #292.
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Gregor Michalicek authored
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- 07 Aug, 2019 2 commits
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Matthias Redies authored
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Matthias Redies authored
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- 02 Aug, 2019 3 commits
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Gregor Michalicek authored
Note: The cause for the problem is still not identified.
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Gregor Michalicek authored
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Daniel Wortmann authored
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- 01 Aug, 2019 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 31 Jul, 2019 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
...also some cleanup in init/initParallelProcesses.F90.
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Gregor Michalicek authored
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